Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50105782'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50105782 (18-(2-methylallyl)-(2S,9R)-10-oxa-6,7,18-triazahex...) Show SMILES CC(=C)CN1CCC23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1cn[nH]c41)ccc5O |TLB:16:15:11.12.13:4.6.5,THB:3:4:15:11.12.13,10:11:15:4.6.5| Show InChI InChI=1S/C21H23N3O3/c1-11(2)10-24-6-5-20-16-12-3-4-14(25)18(16)27-19(20)17-13(9-22-23-17)8-21(20,26)15(24)7-12/h3-4,9,15,19,25-26H,1,5-8,10H2,2H3,(H,22,23)/t15?,19-,20?,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Displacement of [3H]U-69593 from Opioid receptor kappa 1				Bioorg Med Chem Lett 11: 2883-5 (2001) BindingDB Entry DOI: 10.7270/Q2D79BZV
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50105782 (18-(2-methylallyl)-(2S,9R)-10-oxa-6,7,18-triazahex...) Show SMILES CC(=C)CN1CCC23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1cn[nH]c41)ccc5O |TLB:16:15:11.12.13:4.6.5,THB:3:4:15:11.12.13,10:11:15:4.6.5| Show InChI InChI=1S/C21H23N3O3/c1-11(2)10-24-6-5-20-16-12-3-4-14(25)18(16)27-19(20)17-13(9-22-23-17)8-21(20,26)15(24)7-12/h3-4,9,15,19,25-26H,1,5-8,10H2,2H3,(H,22,23)/t15?,19-,20?,21+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Medicine& Dentistry of New Jersey-Robert Wood Johnson Medical School (UMDNJ-RWJMS) Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor kappa 1 from guinea pig brain membranes using [3H]U-69593				J Med Chem 48: 1620-9 (2005) Checked by Author Article DOI: 10.1021/jm049117e BindingDB Entry DOI: 10.7270/Q2ZP47MP
					More data for this Ligand-Target Pair